32 Lattice="5.704064441338801 0.0 0.0 0.0 5.704064441338801 0.0 0.0 0.0 5.704064441338801" Properties=species:S:1:pos:R:3:forces:R:3 energy=8368.705084428062 stress="-184.45765434412033 -3.963578429910812 1.1868031531513563 -3.963578429910812 -182.09468583095943 -0.2700049713748565 1.1868031531513563 -0.2700049713748565 -182.5990399047781" free_energy=8368.705084428062 pbc="F F F" Kr 0.02020458 0.00119541 0.04460627 -717.70134144 -891.99787623 -700.00838538 Kr 1.40266808 1.38270002 0.00969336 313.29309080 228.09629340 -1344.71709912 Kr 1.45531215 0.05624228 1.47253146 -48.52010684 -1744.82726655 -370.68893815 Kr 0.04709414 1.39606445 1.40940924 -1555.88238937 292.78891084 282.92284771 Kr 2.83211692 0.03115573 0.04633247 142.22287417 -1076.91362933 -1040.95932146 Kr 4.26880423 1.44127034 0.00577123 1106.53391586 -232.03639025 -1116.53937472 Kr 4.23160509 0.05494418 1.48141884 1492.73139692 -1184.11133664 -450.22939126 Kr 2.90713991 1.44535187 1.42204161 -646.51596129 202.32588461 268.15172460 Kr 0.05313528 2.83094436 0.02645006 -1318.28669550 64.91864079 -1211.08111134 Kr 1.40294846 4.28818604 0.05156532 215.30879319 1110.00008786 -1534.51838272 Kr 1.39583152 2.88612191 1.36889189 451.89465887 -473.00620580 752.62811126 Kr 0.03988604 4.33380564 1.39462920 -1214.45258863 917.99606467 257.37257354 Kr 2.84506411 2.80563655 0.02320668 -220.21483032 271.32301134 -1536.21836308 Kr 4.29416260 4.24286226 0.02920219 586.35177481 619.35635104 -660.29236269 Kr 4.23143266 2.82108938 1.40312310 1515.48233681 204.12819549 344.10054949 Kr 2.81377114 4.27043763 1.38357937 203.51227547 1236.33157483 290.00174633 Kr 0.04648617 0.04398609 2.88856342 -1173.64841821 -1183.63212923 -152.27739417 Kr 1.45152048 1.39614722 2.80709299 164.95442961 930.22343398 474.12936493 Kr 1.45226885 0.02866164 4.26265748 2.27291035 -1073.12820029 963.18716288 Kr 0.01707919 1.44312403 4.24689319 -925.04359198 88.80518544 966.55640597 Kr 2.87922504 0.03488411 2.80088618 -193.13713106 -1326.50794489 713.58996370 Kr 4.30811223 1.40387010 2.91607557 1057.73906795 441.73241689 22.99252789 Kr 4.25030269 0.00346298 4.29655442 532.19556220 -694.72507772 667.49859958 Kr 2.81427135 1.41794281 4.33328161 276.99291972 309.21046020 917.62581221 Kr 0.02839615 2.87137995 2.82412785 -1243.94001151 -202.67603623 -45.61547065 Kr 1.39209740 4.26326643 2.87585862 333.16448073 1246.91910084 -291.08530483 Kr 1.40146388 2.85846085 4.32224292 103.13882325 -204.62413092 990.66393584 Kr 0.03295283 4.28852367 4.26057634 -832.43557201 667.84628626 754.05359309 Kr 2.85586282 2.89686144 2.86902144 -341.25148088 -490.19945088 -34.01589503 Kr 4.25703495 4.23402207 2.80839999 925.20668170 1224.75228588 -51.37670383 Kr 4.29152716 2.92459750 4.25237474 774.72112954 -207.91834880 1035.76937321 Kr 2.78057065 4.28631290 4.30599178 233.31299709 929.54983938 838.37920620